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6712-89-6 | 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propane-1-sulfonamide
CAS No: 6712-89-6 Catalog No: AG01A3RQ MDL No:MFCD23144076
Product Description
Catalog Number:
AG01A3RQ
Chemical Name:
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propane-1-sulfonamide
CAS Number:
6712-89-6
Molecular Formula:
C11H12N2O4S
Molecular Weight:
268.2890
MDL Number:
MFCD23144076
IUPAC Name:
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
InChI:
InChI=1S/C11H12N2O4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,16,17)
InChI Key:
WKRSAGZLXVSWMX-UHFFFAOYSA-N
SMILES:
O=C1N(CCCS(=O)(=O)N)C(=O)c2c1cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.287g/mol
Monoisotopic Mass:
268.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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